3LDY

An extraordinary mechanism of DNA perturbation exhibited by the rare-cutting HNH restriction endonuclease PacI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-31
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	36.908, 115.788, 114.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.950 - 1.970
R-factor	0.186
Rwork	0.184
R-free	0.21725
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	1.542
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.830	1.830
Number of reflections	19597
<I/σ(I)>	26	2.26
Completeness [%]	87.9	39.2
Redundancy	9.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	20-24% PEG 3000, 2-5% ethylene glycol, 0.1M sodium citrate., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	20-24% PEG 3000, 2-5% ethylene glycol, 0.1M sodium citrate., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	20-24% PEG 3000, 2-5% ethylene glycol, 0.1M sodium citrate., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K